6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole

C48H28BrClN2S2 — CID 158142145

IUPAC6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole
SMILESClc1ccc2sc3c(Br)cccc3c2c1.c1cc(-n2c3ccccc3c3ccccc32)c2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C36H22N2S.C12H6BrClS/c1-5-15-30-24(10-1)25-11-2-6-16-31(25)37(30)23-20-21-35-29(22-23)28-14-9-19-34(36(28)39-35)38-32-17-7-3-12-26(32)27-13-4-8-18-33(27)38;13-10-3-1-2-8-9-6-7(14)4-5-11(9)15-12(8)10/h1-22H;1-6H
InChIKeyFUBNNRAUAIQSQR-UHFFFAOYSA-N
MW812.26 g/mol
LogP15.72
Rot. Bonds2

About 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole

6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole (PubChem CID 158142145) has the molecular formula C48H28BrClN2S2 and a molecular weight of 812.26 g/mol. Its IUPAC name is 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole
PubChem CID158142145
Molecular FormulaC48H28BrClN2S2
Molecular Weight812.26 g/mol
Exact Mass810.06
IUPAC Name6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole
SMILESClc1ccc2sc3c(Br)cccc3c2c1.c1cc(-n2c3ccccc3c3ccccc32)c2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C36H22N2S.C12H6BrClS/c1-5-15-30-24(10-1)25-11-2-6-16-31(25)37(30)23-20-21-35-29(22-23)28-14-9-19-34(36(28)39-35)38-32-17-7-3-12-26(32)27-13-4-8-18-33(27)38;13-10-3-1-2-8-9-6-7(14)4-5-11(9)15-12(8)10/h1-22H;1-6H
InChIKeyFUBNNRAUAIQSQR-UHFFFAOYSA-N
XLogP15.72
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.26
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
CID 137493978
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole
CID 144687609
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole
CID 161216677
9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole
CID 135131320
9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 126754484

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole?
The IUPAC name of 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole (CID 158142145) is 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole?
The canonical SMILES for 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole is Clc1ccc2sc3c(Br)cccc3c2c1.c1cc(-n2c3ccccc3c3ccccc32)c2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole?
The InChIKey is FUBNNRAUAIQSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S.C12H6BrClS/c1-5-15-30-24(10-1)25-11-2-6-16-31(25)37(30)23-20-21-35-29(22-23)28-14-9-19-34(36(28)39-35)38-32-17-7-3-12-26(32)27-13-4-8-18-33(27)38;13-10-3-1-2-8-9-6-7(14)4-5-11(9)15-12(8)10/h1-22H;1-6H.
What are the key properties of 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole?
6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole has a molecular weight of 812.26 g/mol, XLogP of 15.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 158142145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).